(1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane

C17H31FN2 — CID 176562073

IUPAC(1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C17H31FN2/c1-13(2)19-8-6-17(18,7-9-19)12-20-15-4-5-16(20)11-14(3)10-15/h13-16H,4-12H2,1-3H3/t14?,15-,16+
InChIKeyJFCNNFRGDDWPFG-MQVJKMGUSA-N
MW282.45 g/mol
LogP3.46
Rot. Bonds3

About (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 176562073) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID176562073
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name(1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2CC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C17H31FN2/c1-13(2)19-8-6-17(18,7-9-19)12-20-15-4-5-16(20)11-14(3)10-15/h13-16H,4-12H2,1-3H3/t14?,15-,16+
InChIKeyJFCNNFRGDDWPFG-MQVJKMGUSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2-Fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 118234178
(1R,5S)-8-(2-fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337294
(1S,5R)-8-(2,2-difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 121337300
8-Propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
CID 122451375
3-(Fluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 122462537
6-Fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 123441317
8-(2,2-Difluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 123490402
2-Fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130399
(1R,3R,5S)-2-fluoro-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 135130422
(1R,3S,5S)-2-fluoro-3,8-dimethyl-8-azabicyclo[3.2.1]octane
CID 135134483
8-(2-Fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octane
CID 144755913
4-[(1R)-1-fluoro-3-methylbutyl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 168085300

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane (CID 176562073) is (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane is CC1C[C@H]2CC[C@@H](C1)N2CC1(F)CCN(C(C)C)CC1.
What is the InChIKey of (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is JFCNNFRGDDWPFG-MQVJKMGUSA-N. The full InChI is InChI=1S/C17H31FN2/c1-13(2)19-8-6-17(18,7-9-19)12-20-15-4-5-16(20)11-14(3)10-15/h13-16H,4-12H2,1-3H3/t14?,15-,16+.
What are the key properties of (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 282.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176562073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).